Details of the Drug | DrugMAP

General Information of Drug (ID: DMR72PC)

Drug Name

12R-HPETE

Synonyms

12(R)-HPETE

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C20H32O4
Canonical SMILES: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO
InChI: 1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
InChIKey: ZIOZYRSDNLNNNJ-ZYBDYUKJSA-N

Cross-matching ID

PubChem CID: 9548885
ChEBI ID: CHEBI:34145
CAS Number: 126873-49-2
TTD ID: D0IG7F

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5101).